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GPCR

Name	Alpha-1A adrenergic receptor
Species	Rattus norvegicus (Rat)
Gene	Adra1a
Synonym	alpha1c alpha1A-adrenoceptor alpha1a Alpha-1C adrenergic receptor Alpha-1A adrenoreceptor Alpha-1A adrenoceptor alpha-1A adrenergic receptor ADRA1C alpha 1C-adrenergic receptor alpha 1A-adrenoreceptor alpha 1A-adrenoceptor adrenergic receptor, alpha 1a adrenergic receptor alpha 1c adrenergic alpha 1c receptor ADRA1L1 [ Show all ]
Disease	N/A for non-human GPCRs
Length	466
Amino acid sequence	MVLLSENASEGSNCTHPPAPVNISKAILLGVILGGLIIFGVLGNILVILSVACHRHLHSVTHYYIVNLAVADLLLTSTVLPFSAIFEILGYWAFGRVFCNIWAAVDVLCCTASIMGLCIISIDRYIGVSYPLRYPTIVTQRRGVRALLCVWVLSLVISIGPLFGWRQPAPEDETICQINEEPGYVLFSALGSFYVPLAIILVMYCRVYVVAKRESRGLKSGLKTDKSDSEQVTLRIHRKNVPAEGGGVSSAKNKTHFSVRLLKFSREKKAAKTLGIVVGCFVLCWLPFFLVMPIGSFFPDFKPSETVFKIVFWLGYLNSCINPIIYPCSSQEFKKAFQNVLRIQCLRRRQSSKHALGYTLHPPSQALEGQHRDMVRIPVGSGETFYKISKTDGVCEWKFFSSMPQGSARITVPKDQSACTTARVRSKSFLQVCCCVGSSAPRPEENHQVPTIKIHTISLGENGEEV
UniProt	P43140
Protein Data Bank	N/A
GPCR-HGmod model	N/A
3D structure model	No available structures or models
BioLiP	N/A
Therapeutic Target Database	N/A
ChEMBL	CHEMBL319
IUPHAR	22
DrugBank	N/A

Ligand

Name	CHEMBL289758
Molecular formula	C27H29N3O3S
IUPAC name	3-[4-(6-methoxy-1,3,3a,4,5,9b-hexahydrobenzo[e]isoindol-2-yl)butyl]-1H-[1]benzothiolo[3,2-d]pyrimidine-2,4-dione
Molecular weight	475.607
Hydrogen bond acceptor	5
Hydrogen bond donor	1
XlogP	4.9
Synonyms	BDBM50087498 (Cis)3-[4-(6-Methoxy-1,3,3a,4,5,9b-hexahydro-benzo[e]isoindol-2-yl)-butyl]-1H-benzo[4,5]thieno[3,2-d]pyrimidine-2,4-dione
Inchi Key	PJUNYVKXGHDWBR-UHFFFAOYSA-N
Inchi ID	InChI=1S/C27H29N3O3S/c1-33-22-9-6-8-18-19(22)12-11-17-15-29(16-21(17)18)13-4-5-14-30-26(31)25-24(28-27(30)32)20-7-2-3-10-23(20)34-25/h2-3,6-10,17,21H,4-5,11-16H2,1H3,(H,28,32)
PubChem CID	44288392
ChEMBL	CHEMBL289758
IUPHAR	N/A
BindingDB	50087498
DrugBank	N/A
Structure SDF download
Lipinski's druglikeness	This ligand satisfies Lipinski's rule of five.

Experimental Data

Parameter	Value	Reference	Database source
Ki	7.43 nM	PMID10780916	BindingDB,ChEMBL

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